| SpectraBase Spectrum ID |
BB7z2YeECtI |
| Name |
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.381080848 u |
| Formula |
C28H50O2 |
| InChI |
InChI=1S/C28H50O2/c1-3-5-7-9-23-12-20-27(21-13-23)30-28(29)26-18-16-25(17-19-26)24-14-10-22(11-15-24)8-6-4-2/h22-27H,3-21H2,1-2H3 |
| InChIKey |
OSJIAHNYWXKHFF-UHFFFAOYSA-N |
| Molecular Weight |
418.706 g/mol |
| SMILES |
C1(CCC(CC1)C1CCC(CC1)C(=O)OC1CCC(CC1)CCCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903135 |
![[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester](/api/spectrum/BB7z2YeECtI/structure.png?h=300&w=458 "[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester")
